CID 176514735

U-8:2 ftsa

Structural Information

Molecular Formula
C10H3F17O3S
SMILES
C(=C/S(=O)(=O)O)\C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H3F17O3S/c11-3(12,1-2-31(28,29)30)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H,(H,28,29,30)/b2-1+
InChIKey
ZTGCGIRHCKMKNV-OWOJBTEDSA-N
Compound name
(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-ene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

525.9531 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.96038 168.7
[M+Na]+ 548.94232 172.1
[M-H]- 524.94582 175.6
[M+NH4]+ 543.98692 177.7
[M+K]+ 564.91626 180.9
[M+H-H2O]+ 508.95036 156.4
[M+HCOO]- 570.95130 189.2
[M+CH3COO]- 584.96695 234.0
[M+Na-2H]- 546.92777 167.2
[M]+ 525.95255 169.7
[M]- 525.95365 169.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.